4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide

C17H21N5O2S — CID 136664761

IUPAC4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1
InChIInChI=1S/C17H21N5O2S/c1-10-15(25-9-18-10)16(24)19-12-6-11(7-12)13-8-14(23)21-17(20-13)22-4-2-3-5-22/h8-9,11-12H,2-7H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyFVESLOPEOOTLAF-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.81
Rot. Bonds4

About 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 136664761) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
PubChem CID136664761
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1
InChIInChI=1S/C17H21N5O2S/c1-10-15(25-9-18-10)16(24)19-12-6-11(7-12)13-8-14(23)21-17(20-13)22-4-2-3-5-22/h8-9,11-12H,2-7H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyFVESLOPEOOTLAF-UHFFFAOYSA-N
XLogP1.81
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide (CID 136664761) is 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1.
What is the InChIKey of 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FVESLOPEOOTLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-10-15(25-9-18-10)16(24)19-12-6-11(7-12)13-8-14(23)21-17(20-13)22-4-2-3-5-22/h8-9,11-12H,2-7H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136664761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).